SCHEMBL4711517

SCHEMBL4711517

ClP(c1ccc[nH]1)c1ccc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
DAO P14920 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
FKBP5 Q13451 1/20 0.31
TSHR P16473 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1556224 0.77 DAO (0.35) AURKAAURKBINCENPDAOHDAC8
SCHEMBL5405555 0.74 DAO (0.33) AURKAAURKBINCENPDAOHDAC8
SCHEMBL31512727 0.72
SCHEMBL15914861 0.70 HDAC8 (0.36) AURKAAURKBINCENPDAOHDAC8
SCHEMBL5402727 0.69 LTA4H (0.31) TSHR
SCHEMBL1557675 0.67 CYP3A4 (0.50) FKBP5
SCHEMBL15364239 0.67
SCHEMBL1557189 0.67 CYP3A4 (0.50) FKBP5
SCHEMBL31522791 0.66
SCHEMBL16041245 0.64 DAO (0.31) DAOHDAC8HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785156-A Naphthalimide functionalized phosphine ligand and preparation method thereof 四川大学 2023-03-14 CN claimed
CN-110343209-B Bidentate phosphorus ligand polymer, preparation method thereof and application thereof in olefin hydroformylation reaction 中国科学院青岛生物能源与过程研究所 2021-09-17 CN claimed
CN-115785156-A Naphthalimide functionalized phosphine ligand and preparation method thereof 四川大学 2023-03-14 CN disclosed
CN-113004326-B Phosphine ligand for butadiene hydroformylation reaction and preparation method thereof 中国科学院青岛生物能源与过程研究所 2022-11-04 CN disclosed
CN-114891036-A Process for preparing phosphorus-containing ligands 浙江新和成股份有限公司 2022-08-12 CN disclosed
CN-110343209-B Bidentate phosphorus ligand polymer, preparation method thereof and application thereof in olefin hydroformylation reaction 中国科学院青岛生物能源与过程研究所 2021-09-17 CN disclosed
EP-1789185-B2 PHSPHORUS-CONTAINING CATALYST COMPOSITION AND PROCESS FOR HYDROFORMYLATION USING THE SAME LG CHEMICAL LTD (KR) 2018-07-25 EP disclosed
US-9795952-B2 Bidentate ligands for hydroformylation of ethylene DOW TECHNOLOGY INVESTMENTS LLC (US) 2017-10-24 US disclosed
US-20150328628-A1 Bidentate Ligands for Hydroformylation of Ethylene THE DOW CHEMICAL COMPANY 2015-11-19 US disclosed
EP-1789185-B1 PHSPHORUS-CONTAINING CATALYST COMPOSITION AND PROCESS FOR HYDROFORMYLATION USING THE SAME LG CHEMICAL LTD (KR) 2015-03-04 EP disclosed
WO-2014088800-A1 BIDENTATE LIGANDS FOR HYDROFORMYLATION OF ETHYLENE DOW TECHNOLOGY INVESTMENTS LLC (US) 2014-06-12 WO disclosed
EP-2740535-A1 Bidentate ligands for hydroformylation of ethylene Dow Technology Investments LLC (US) 2014-06-11 EP disclosed
EP-1789185-A4 PHSPHORUS-CONTAINING CATALYST COMPOSITION AND PROCESS FOR HYDROFORMYLATION USING THE SAME LG CHEMICAL LTD (KR) 2008-12-31 EP disclosed
US-7425656-B2 Phosphorus-containing catalyst composition and process for hydroformylation reaction using the same LG CHEM, LTD (KR) 2008-09-16 US disclosed
EP-1789185-A1 PHSPHORUS-CONTAINING CATALYST COMPOSITION AND PROCESS FOR HYDROFORMYLATION USING THE SAME LG Chem, Ltd. (KR) 2007-05-30 EP disclosed
US-7173138-B2 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2007-02-06 US disclosed
WO-2006031068-A1 PHSPHORUS-CONTAINING CATALYST COMPOSITION AND PROCESS FOR HYDROFORMYLATION USING THE SAME LG CHEM, LTD. (KR) 2006-03-23 WO disclosed
US-20060058558-A1 Phsphorus-containing catalyst composition and process for hydroformylation reaction using the same LG CHEM. LTD. (KR) 2006-03-16 US disclosed
US-20040110960-A1 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2004-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040110960-A1 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation OGG1, HPD, HPGD AURKA 2696/4885AURKB 3364/4885INCENP 2760/4885
US-20060058558-A1 Phsphorus-containing catalyst composition and process for hydroformylation reaction using the same NUDT1, HMOX1, HPD AURKA 2203/4885AURKB 3689/4885INCENP 1354/4885
US-20150328628-A1 Bidentate Ligands for Hydroformylation of Ethylene HRH4, HRH3, H1-4 AURKA 3710/4885AURKB 3983/4885INCENP 4533/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.